2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

C16H20N2O2S — CID 71934935

IUPAC2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC3(O)CCCCC3)n2)s1
InChIInChI=1S/C16H20N2O2S/c1-12-5-7-14(21-12)13-6-8-15(19)18(17-13)11-16(20)9-3-2-4-10-16/h5-8,20H,2-4,9-11H2,1H3
InChIKeyJICDFUAKQVTRFA-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.98
Rot. Bonds3

About 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (PubChem CID 71934935) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
PubChem CID71934935
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC3(O)CCCCC3)n2)s1
InChIInChI=1S/C16H20N2O2S/c1-12-5-7-14(21-12)13-6-8-15(19)18(17-13)11-16(20)9-3-2-4-10-16/h5-8,20H,2-4,9-11H2,1H3
InChIKeyJICDFUAKQVTRFA-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (CID 71934935) is 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC3(O)CCCCC3)n2)s1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The InChIKey is JICDFUAKQVTRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-5-7-14(21-12)13-6-8-15(19)18(17-13)11-16(20)9-3-2-4-10-16/h5-8,20H,2-4,9-11H2,1H3.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one has a molecular weight of 304.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is sourced from PubChem (CID 71934935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).